SCHEMBL8355142

SCHEMBL8355142

CC(CCC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
HIF1A Q16665 2/20 0.38
BLM P54132 1/20 0.38
HBB P68871 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
SLC15A2 Q16348 1/20 0.32
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15443091 0.86 LMNA (0.44) MEN1KMT2ALMNAHIF1ABLM
SCHEMBL3998009 0.86 LMNA (0.48) MEN1KMT2ALMNAHIF1ABLM
SCHEMBL15442115 0.74 CYP1A2 (0.42) MEN1KMT2ALMNAHIF1ABLM
SCHEMBL15570883 0.74 LMNA (0.44) MEN1KMT2ALMNAHIF1ABLM
SCHEMBL44822 0.74 ALDH1A1 (0.47) MEN1KMT2ALMNAHIF1ABLM
SCHEMBL4162551 0.73 LMNA (0.48) MEN1KMT2ALMNAHIF1ABLM
Hydrochloric Acid SCHEMBL9348952 0.72 ALDH1A1 (0.46) MEN1KMT2ALMNAHIF1ABLM
SCHEMBL18486262 0.72 LMNA (0.43) MEN1KMT2ALMNAHIF1ABLM
SCHEMBL15443059 0.71 CYP1A2 (0.48) MEN1KMT2ALMNAHIF1ABLM
SCHEMBL10717697 0.71 ALDH1A1 (0.46) ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5949016-A Energetic melt cast explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-09-07 US claimed
US-5949016-A Energetic melt cast explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-09-07 US disclosed